[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone

C22H23N3O2 — CID 100624504

IUPAC[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone
SMILESCc1ccc([C@@H]2CN(C(=O)c3cncn3-c3ccccc3)CCO2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-16-8-9-19(17(2)12-16)21-14-24(10-11-27-21)22(26)20-13-23-15-25(20)18-6-4-3-5-7-18/h3-9,12-13,15,21H,10-11,14H2,1-2H3/t21-/m0/s1
InChIKeyUKYHSEPRFOPKOM-NRFANRHFSA-N
MW361.45 g/mol
LogP3.70
Rot. Bonds3

About [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone

[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 100624504) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID100624504
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone
SMILESCc1ccc([C@@H]2CN(C(=O)c3cncn3-c3ccccc3)CCO2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-16-8-9-19(17(2)12-16)21-14-24(10-11-27-21)22(26)20-13-23-15-25(20)18-6-4-3-5-7-18/h3-9,12-13,15,21H,10-11,14H2,1-2H3/t21-/m0/s1
InChIKeyUKYHSEPRFOPKOM-NRFANRHFSA-N
XLogP3.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415200
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 97016712
[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92767524
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone (CID 100624504) is [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone is Cc1ccc([C@@H]2CN(C(=O)c3cncn3-c3ccccc3)CCO2)c(C)c1.
What is the InChIKey of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is UKYHSEPRFOPKOM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-8-9-19(17(2)12-16)21-14-24(10-11-27-21)22(26)20-13-23-15-25(20)18-6-4-3-5-7-18/h3-9,12-13,15,21H,10-11,14H2,1-2H3/t21-/m0/s1.
What are the key properties of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone?
[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 100624504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).